trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H26F3NO2 — CID 124734215

IUPACtrans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21)/t10-,11+,12+/m0/s1
InChIKeyLZEMIJVIKNERCH-QJPTWQEYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds5

About trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 124734215) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID124734215
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Nametrans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21)/t10-,11+,12+/m0/s1
InChIKeyLZEMIJVIKNERCH-QJPTWQEYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622805
methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103879541
N-(1-chloro-3-methylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113434021
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103712516
2-methyl-5-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid
CID 104682094
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103877346
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
N-(6-iodohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848446
N-(1-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622437
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103891082
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 124734215) is trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LZEMIJVIKNERCH-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-10(20)8-14(2,3)9-19-13(21)11-6-4-5-7-12(11)15(16,17)18/h10-12,20H,4-9H2,1-3H3,(H,19,21)/t10-,11+,12+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 124734215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).